{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_1" } "basis-atom-coordinates" { "source-value" [ [ 0.440312 0.327927 0.584304 ] [ 0.672073 0.112385 0.917638 ] [ 0.887615 0.559688 0.250971 ] [ 0.339512 0.450906 0.080458 ] [ 0.111394 0.660488 0.747124 ] [ 0.549094 0.888606 0.413791 ] [ 0.809269 0.995991 0.667019 ] [ 0.186722 0.190731 0.333686 ] [ 0.004009 0.813278 0.000352 ] [ 0.551396 0.007212 0.165565 ] [ 0.992788 0.544183 0.498898 ] [ 0.455817 0.448604 0.832231 ] [ 0.293224 0.150384 0.958272 ] [ 0.682123 0.11666 0.559104 ] [ 0.434537 0.317877 0.225771 ] [ 0.849616 0.142841 0.291605 ] [ 0.144567 0.283622 0.706883 ] [ 0.857159 0.706776 0.624938 ] [ 0.88334 0.565463 0.892438 ] [ 0.128287 0.689578 0.108932 ] [ 0.310422 0.438709 0.442265 ] [ 0.139055 0.855433 0.37355 ] [ 0.716378 0.860945 0.040217 ] [ 0.561291 0.871713 0.775599 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.02234753 "source-unit" "angstrom" } "c" { "source-value" 11.49567261 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.049615100833333 "source-unit" "eV" } }